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Chemical ID: 5247619
Chemical ID:
5247619
Name [?]:
2-chloro-2-methyl-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C)(C)Cl
InChi [?]:
InChI=1/C11H14ClNO/c1-8-4-6-9(7-5-8)13-10(14)11(2,3)12/h4-7H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,3,7,4,6,2,5,9,11,14,8,10/E:(2,3)(4,5)(6,7)/rA:14nCCCCCCCNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14275 |
Area: | 387.767 |
Solvation: | -1.55142 |
Coulombic: | -22.7111 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.44 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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